[4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine

Systemtic Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine Openeye Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine CAS Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine IUPAC Name: [4-[[(4-nitrophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine Traditional Name: [4-(aminomethyl)benzyl]-(4-nitrobenzyl)-(3-phenoxybenzyl)amine Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O3/c29-18-22-9-11-23(12-10-22)19-30(20-24-13-15-26(16-14-24)31(32)33)21-25-5-4-8-28(17-25)34-27-6-2-1-3-7-27/h1-17H,18-21,29H2